CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: Crenigacestat
Accession: CHEBI:232469
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Definition: Crenigacestat (LY3039478) is an orally active Notch and g-secretase inhibitor, with an IC50 of 1 nM in most of the tumor cell lines tested.
Synonyms: related_synonym: Formula=C22H23F3N4O4; InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1; InChIKey=YCBAQKQAINQRFW-UGSOOPFHSA-N; LY3039478; N-[(1S)-2-[[(7S)-6,7-dihydro-5-(2-hydroxyethyl)-6-oxo-5H-pyrido[3,2-a][3]benzazepin-7-yl]amino]-1-methyl-2-oxoethyl]-4,4,4-trifluoro-butanamide; SMILES=O=C1[C@@H](NC([C@H](C)NC(CCC(F)(F)F)=O)=O)C2=CC=CC=C2C3=C(N=CC=C3)N1CCO
xref: CAS:1421438-81-4
xref_mesh: MESH:C000654634
G
Chuk
component of inhibitor of nuclear factor kappa B kinase complex
multiple interactions
ISO
crenigacestat inhibits the reaction [Homoharringtonine results in increased phosphorylation of CHUK protein]
CTD
PMID:31307525
NCBI chr 1:252,908,748...252,944,273
Ensembl chr 1:242,959,760...242,995,065
G
Ep300
E1A binding protein p300
multiple interactions
ISO
crenigacestat affects the reaction [Aconitine affects the expression of EP300 protein]
CTD
PMID:32234357
NCBI chr 7:114,987,857...115,058,652
Ensembl chr 7:113,106,247...113,136,088 Ensembl chr 7:113,106,247...113,136,088
G
Hcn4
hyperpolarization activated cyclic nucleotide-gated potassium channel 4
multiple interactions
EXP
crenigacestat affects the reaction [Aconitine affects the expression of HCN4 protein]
CTD
PMID:32234357
NCBI chr 8:68,118,062...68,155,482
Ensembl chr 8:59,221,653...59,259,639
G
Hes1
hes family bHLH transcription factor 1
multiple interactions
ISO EXP
crenigacestat inhibits the reaction [Aconitine results in increased expression of HES1 protein]
CTD
PMID:32234357
NCBI chr11:84,210,632...84,213,045
Ensembl chr11:70,705,764...70,708,192
G
Kdm5a
lysine demethylase 5A
multiple interactions
ISO
crenigacestat inhibits the reaction [Aconitine results in increased expression of KDM5A protein]
CTD
PMID:32234357
NCBI chr 4:155,238,124...155,316,121
Ensembl chr 4:153,565,846...153,642,422
G
Notch1
notch receptor 1
multiple interactions
ISO EXP
crenigacestat affects the reaction [Aconitine affects the expression of NOTCH1 protein]; crenigacestat inhibits the reaction [Aconitine results in increased expression of NOTCH1 protein modified form]
CTD
PMID:32234357
NCBI chr 3:29,676,040...29,721,613
Ensembl chr 3:9,278,086...9,323,531
G
Rela
RELA proto-oncogene, NF-kB subunit
multiple interactions
ISO
crenigacestat inhibits the reaction [Homoharringtonine results in increased expression of RELA protein]
CTD
PMID:31307525
NCBI chr 1:212,354,336...212,364,815
Ensembl chr 1:202,924,945...202,935,484
G
Tp53
tumor protein p53
multiple interactions
ISO
crenigacestat inhibits the reaction [Homoharringtonine results in increased expression of TP53 protein]
CTD
PMID:31307525
NCBI chr10:54,798,871...54,810,300
Ensembl chr10:54,300,048...54,311,524
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